(E)-4-bromobut-3-en-1-amine

C4H8BrN — CID 89333756

IUPAC(E)-4-bromobut-3-en-1-amine
SMILESNCC/C=C/Br
InChIInChI=1S/C4H8BrN/c5-3-1-2-4-6/h1,3H,2,4,6H2/b3-1+
InChIKeyLCTZEIZULBLKJN-HNQUOIGGSA-N
MW150.02 g/mol
LogP1.24
Rot. Bonds2

About (E)-4-bromobut-3-en-1-amine

(E)-4-bromobut-3-en-1-amine (PubChem CID 89333756) has the molecular formula C4H8BrN and a molecular weight of 150.02 g/mol. Its IUPAC name is (E)-4-bromobut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-bromobut-3-en-1-amine
PubChem CID89333756
Molecular FormulaC4H8BrN
Molecular Weight150.02 g/mol
Exact Mass148.98
IUPAC Name(E)-4-bromobut-3-en-1-amine
SMILESNCC/C=C/Br
InChIInChI=1S/C4H8BrN/c5-3-1-2-4-6/h1,3H,2,4,6H2/b3-1+
InChIKeyLCTZEIZULBLKJN-HNQUOIGGSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.02
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-bromobut-3-en-1-amine?
The IUPAC name of (E)-4-bromobut-3-en-1-amine (CID 89333756) is (E)-4-bromobut-3-en-1-amine.
What is the SMILES notation for (E)-4-bromobut-3-en-1-amine?
The canonical SMILES for (E)-4-bromobut-3-en-1-amine is NCC/C=C/Br.
What is the InChIKey of (E)-4-bromobut-3-en-1-amine?
The InChIKey is LCTZEIZULBLKJN-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H8BrN/c5-3-1-2-4-6/h1,3H,2,4,6H2/b3-1+.
What are the key properties of (E)-4-bromobut-3-en-1-amine?
(E)-4-bromobut-3-en-1-amine has a molecular weight of 150.02 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromobut-3-en-1-amine is sourced from PubChem (CID 89333756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).